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139553-57-4 | 3,4-Pentadienoic acid, 5-phenyl-, ethyl ester
CAS No: 139553-57-4 Catalog No: AG001B9K MDL No:
Product Description
Catalog Number:
AG001B9K
Chemical Name:
3,4-Pentadienoic acid, 5-phenyl-, ethyl ester
CAS Number:
139553-57-4
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
IUPAC Name:
ethyl 5-phenylpenta-3,4-dienoate
InChI:
InChI=1S/C13H14O2/c1-2-15-13(14)11-7-6-10-12-8-4-3-5-9-12/h3-5,7-10H,2,11H2,1H3
InChI Key:
NOYNFYARSXYCDR-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC=C=Cc1ccccc1
Properties
Complexity:
243
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.099g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.253g/mol
Monoisotopic Mass:
202.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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